2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]nicotinate Formula: C15H9BrN3O3S- MolecularWeight: 391.21926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC(=O)N3C=C(C=CC3=N2)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC(=O)N3C=C(C=CC3=N2)Br)C(=O)[O-]

InChI

InChI=1S/C15H10BrN3O3S/c16-9-3-4-12-18-10(6-13(20)19(12)7-9)8-23-14-11(15(21)22)2-1-5-17-14/h1-7H,8H2,(H,21,22)/p-1